N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine

C15H24N4 — CID 123150157

IUPACN-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC=C(C)C1=NC(C)N=C(N(C)C2=CCCCCC2)N1
InChIInChI=1S/C15H24N4/c1-11(2)14-16-12(3)17-15(18-14)19(4)13-9-7-5-6-8-10-13/h9,12H,1,5-8,10H2,2-4H3,(H,16,17,18)
InChIKeyVBPGLMVBQAOPQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.05
Rot. Bonds2

About N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine

N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 123150157) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID123150157
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESC=C(C)C1=NC(C)N=C(N(C)C2=CCCCCC2)N1
InChIInChI=1S/C15H24N4/c1-11(2)14-16-12(3)17-15(18-14)19(4)13-9-7-5-6-8-10-13/h9,12H,1,5-8,10H2,2-4H3,(H,16,17,18)
InChIKeyVBPGLMVBQAOPQT-UHFFFAOYSA-N
XLogP3.05
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine
CID 143595919

Frequently Asked Questions

What is the IUPAC name of N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine (CID 123150157) is N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine is C=C(C)C1=NC(C)N=C(N(C)C2=CCCCCC2)N1.
What is the InChIKey of N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is VBPGLMVBQAOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)14-16-12(3)17-15(18-14)19(4)13-9-7-5-6-8-10-13/h9,12H,1,5-8,10H2,2-4H3,(H,16,17,18).
What are the key properties of N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine?
N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepten-1-yl)-N,4-dimethyl-6-prop-1-en-2-yl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 123150157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).